1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine

C17H19N5O3S — CID 11360802

IUPAC1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)14-4-2-12(3-5-14)22-16-15(10-21-22)17(20-11-19-16)25-13-6-8-18-9-7-13/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyBUASULFPEGUFMH-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.35
Rot. Bonds4

About 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine

1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine (PubChem CID 11360802) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
PubChem CID11360802
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)14-4-2-12(3-5-14)22-16-15(10-21-22)17(20-11-19-16)25-13-6-8-18-9-7-13/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyBUASULFPEGUFMH-UHFFFAOYSA-N
XLogP1.35
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine (CID 11360802) is 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine is CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The InChIKey is BUASULFPEGUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-26(23,24)14-4-2-12(3-5-14)22-16-15(10-21-22)17(20-11-19-16)25-13-6-8-18-9-7-13/h2-5,10-11,13,18H,6-9H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine has a molecular weight of 373.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 11360802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).